1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea

C12H9Cl2N3O — CID 6468481

IUPAC1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H9Cl2N3O/c13-8-4-9(14)6-11(5-8)17-12(18)16-10-2-1-3-15-7-10/h1-7H,(H2,16,17,18)
InChIKeyYCNUSBREZUWZEV-UHFFFAOYSA-N
MW282.13 g/mol
LogP4.03
Rot. Bonds2

About 1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea

1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea (PubChem CID 6468481) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea
PubChem CID6468481
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H9Cl2N3O/c13-8-4-9(14)6-11(5-8)17-12(18)16-10-2-1-3-15-7-10/h1-7H,(H2,16,17,18)
InChIKeyYCNUSBREZUWZEV-UHFFFAOYSA-N
XLogP4.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea (CID 6468481) is 1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea is O=C(Nc1cccnc1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea?
The InChIKey is YCNUSBREZUWZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-8-4-9(14)6-11(5-8)17-12(18)16-10-2-1-3-15-7-10/h1-7H,(H2,16,17,18).
What are the key properties of 1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea?
1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea has a molecular weight of 282.13 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 6468481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).